CID 3025597

N-2-benzothiazolyl-n'-methylethanediamide

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
CNC(=O)C(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H9N3O2S/c1-11-8(14)9(15)13-10-12-6-4-2-3-5-7(6)16-10/h2-5H,1H3,(H,11,14)(H,12,13,15)
InChIKey
QFZUMGOSYSKSOP-UHFFFAOYSA-N
Compound name
N'-(1,3-benzothiazol-2-yl)-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04155 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04883 148.4
[M+Na]+ 258.03077 157.3
[M-H]- 234.03427 152.6
[M+NH4]+ 253.07537 167.9
[M+K]+ 274.00471 154.2
[M+H-H2O]+ 218.03881 141.9
[M+HCOO]- 280.03975 169.1
[M+CH3COO]- 294.05540 190.9
[M+Na-2H]- 256.01622 153.0
[M]+ 235.04100 151.6
[M]- 235.04210 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.